2-[[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-tert-butylphenyl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-tert-butylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]thio]acetic acid Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)O

InChI

InChI=1S/C15H17N3O3S2/c1-15(2,3)10-6-4-9(5-7-10)12(21)16-13-17-18-14(23-13)22-8-11(19)20/h4-7H,8H2,1-3H3,(H,19,20)(H,16,17,21)